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Background: Chronic obstructive pulmonary disease (COPD) is a type of obstructive pulmonary disease characterized by chronic airway blockage. The aim of this study was to investigate the presence of Haemophilus influenzae in patients with COPD using molecular method. Methods: A total of 100 samples of respiratory secretion were collected from patients with COPD. The molecular identification of Haemophilus influenza was performed using specific primers against standard kits by polymerase chain reaction (PCR) method. Findings: Haemophilus influenzae bacteria were positive in 10 out of 100 patients, and 8 of 100 were positive in PCR using specific primers. Conclusion: Nucleic acid-like PCR tests, due to their sensitivity, high accuracy, and time saving, are the appropriate method for diagnosis of Haemophilus influenzae in patients with chronic pulmonary obstruction. more...

Background and Objectives: Cancer, one of the global health problems, has been introduced as one of the main death causes worldwide. Xanthine derivatives have been identified as effective compounds for prevention and treatment of cancer. In this study, a series of novel phenoxy ethyl theobromine derivatives were designed with N1 positioning and their cytotoxic activity was evaluated. Also, molecular docking studies were performed to predict the possible action mechanism of these compounds. Materials and Methods: In the present laboratory investigation, compounds 2, 3, and 5a-l were initially synthesized. The cytotoxicity of all new synthesized compounds was studied by MTT (methylthiazolyldiphenyl-tetrazolium bromide) -based colorimetric assay against 4 human cancer cell lines. Autodock software was used to determine the binding energies of these structures on human tetrahydrofolate reductase, human octo-5'-nucleotidase (e5NT) and human phosphodiesterase enzymes. The obtained data were analyzed using one-way analysis of variance. Results: The results of docking studies showed acceptable binding energy (-8.42 kcal/mol) against e5NT. The results of cytotoxicity analysis showed that the greatest effect of cytotoxicity was against A549 and MCF-7 cells (compound 5e with IC50 values of 86.65 μM and 161.09 μM, respectively). Conclusion: The results of molecular docking studies showed acceptable binding energy against the octo-5'-nucleotidase enzyme. Among the synthesized derivatives, compound 5a with the lowest ΔG level (-8.42 kcal/mol) was selected as the best inhibitor of this enzyme. Appropriate effects of cytotoxicity were observed at different concentrations of the synthesized compounds on MCF7 and A549 cell lines. [ABSTRACT FROM AUTHOR] more...

Adsorption simulation of vancomycin antibiotic is done using molecular dynamics. The simulation results show the adsorption behavior of vancomycin on a functionalized biosensor. Regarding the importance of vancomycin, its molecular function is simulated using multiscale discipline. Adsorption to a single assembly monolayer is considered according to vancomycin’s in-vivo function. A selected biosensor is a non-symmetrically functionalized microcantilever which undergoes deformation as a result of changes in surface tension regarding functionalized surface. Multiscale simulations implemented to calculate microcantilever deformation. Molecular models in a vacuum and aquatic media are taken into account. Energy parameters related to surface tension is studied versus the distance of target molecules to the surface of the biosensor. To calculate the distance between receptor molecules in single assembly monolayer, an algorithm is proposed based on experimental results. [ABSTRACT FROM AUTHOR] more...

Neurodegenerative diseases cause a range of neurological disorders in the central nervous system. Todays researchers emphasize the pivotal role of apoptosis in neurodegenerative diseases. Given that injured central nervous system has limited regenerative capacity, it is of extreme importance to limit the damage by inhibition of neuronal death. During the past decade, considerable progress has been made in understanding the process of apoptosis at molecular level. Also, according to the understanding of the mechanisms of apoptosis, several studies have examined the possible effects of neuroprotective compounds for reducing or inhibiting neuronal apoptosis. In this review article, it has been attempt to review the role of apoptosis in the pathology of neurodegenerative diseases. Also, an overview has been made in the field of neuronal apoptosis inhibitor with neuroprotective compounds in human and experimental models of neurodegenerative diseases. [ABSTRACT FROM AUTHOR] more...